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2-Methyl-6,7-methylenedioxy-5-(4-phenoxybutoxy)-4H-[1]benzopyran-4-one
SpectraBase Compound ID 4K1hKvfBnuF
InChI InChI=1S/C21H20O6/c1-14-11-16(22)19-17(27-14)12-18-20(26-13-25-18)21(19)24-10-6-5-9-23-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKey DDDPYKIGDUBDBW-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jbn76dsSctW
Name 2-Methyl-6,7-methylenedioxy-5-(4-phenoxybutoxy)-4H-[1]benzopyran-4-one
Comments Computed using HOSE algorithm
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Exact Mass 368.125988358 u
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-14-11-16(22)19-17(27-14)12-18-20(26-13-25-18)21(19)24-10-6-5-9-23-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3
InChIKey DDDPYKIGDUBDBW-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES C1(=CC(C=2C(O1)=CC1=C(C2OCCCCOC=2C=CC=CC2)OCO1)=O)C